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ACROSORGANICS-ZINC01690062

MMsINC code: MMs00011034

Type: Neutral
Formula: C3H7ClO
SMILES:   ClCCCO
InChI:   InChI=1/C3H7ClO/c4-2-1-3-5/h5H,1-3H2

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=1.19147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 94.541 g/mol  logS: -0.35505  SlogP: 0.6076  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.146476  Sterimol/B1: 2.13044  Sterimol/B2: 2.37532  Sterimol/B3: 2.37546
  Sterimol/B4: 3.03069  Sterimol/L: 9.33619 
 
 Surface and Volume Properties
  Accessible surface: 256.302  Positive charged surface: 158.116  Negative charged surface: 98.186  Volume: 88.625
  Hydrophobic surface: 130.183  Hydrophilic surface: 126.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.